cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C10H15N5O3 — CID 122066109

IUPACcis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCCn1ncnn1
InChIInChI=1S/C10H15N5O3/c1-10(2)6(7(10)9(17)18)8(16)11-3-4-15-13-5-12-14-15/h5-7H,3-4H2,1-2H3,(H,11,16)(H,17,18)/t6-,7+/m1/s1
InChIKeyIIEZJYMIZAXNGI-RQJHMYQMSA-N
MW253.26 g/mol
LogP-0.85
Rot. Bonds5

About cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122066109) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122066109
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCCn1ncnn1
InChIInChI=1S/C10H15N5O3/c1-10(2)6(7(10)9(17)18)8(16)11-3-4-15-13-5-12-14-15/h5-7H,3-4H2,1-2H3,(H,11,16)(H,17,18)/t6-,7+/m1/s1
InChIKeyIIEZJYMIZAXNGI-RQJHMYQMSA-N
XLogP-0.85
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 122066109) is cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCCn1ncnn1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IIEZJYMIZAXNGI-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-10(2)6(7(10)9(17)18)8(16)11-3-4-15-13-5-12-14-15/h5-7H,3-4H2,1-2H3,(H,11,16)(H,17,18)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-[2-(tetrazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).